CID 16637309

185743-00-4

Structural Information

Molecular Formula

C₁₃H₁₆ClNO

SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CCl

InChI

InChI=1S/C13H16ClNO/c14-10-11-4-6-12(7-5-11)13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2

InChIKey

WVQKALIRKRBPTC-UHFFFAOYSA-N

Compound name

[4-(chloromethyl)phenyl]-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 237.09204 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.09932	152.9
[M+Na]+	260.08126	166.6
[M+NH4]+	255.12586	162.1
[M+K]+	276.05520	158.4
[M-H]-	236.08476	156.8
[M+Na-2H]-	258.06671	160.7
[M]+	237.09149	156.2
[M]-	237.09259	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe